(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate

C13H10ClN3O4 — CID 140879711

IUPAC(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1Cl
InChIInChI=1S/C13H10ClN3O4/c1-8-2-7-11(15-12(8)14)16-13(18)21-10-5-3-9(4-6-10)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyAWGKSGLKLVENHY-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.56
Rot. Bonds3

About (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate

(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate (PubChem CID 140879711) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
PubChem CID140879711
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
SMILESCc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1Cl
InChIInChI=1S/C13H10ClN3O4/c1-8-2-7-11(15-12(8)14)16-13(18)21-10-5-3-9(4-6-10)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyAWGKSGLKLVENHY-UHFFFAOYSA-N
XLogP3.56
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
6-chloro-5-methylpyridin-2-amine;phenyl N-(6-chloro-5-methyl-2-pyridinyl)carbamate
CID 167580490
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate
CID 167510664
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
CID 59536323
(4-nitrophenyl) N-(2-methylsulfanylethyl)carbamate
CID 86123043
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
(4-nitrophenyl) N-chlorosulfonylcarbamate
CID 13382505
(4-nitrophenyl) N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
CID 66584101
(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate (CID 140879711) is (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate is Cc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1Cl.
What is the InChIKey of (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
The InChIKey is AWGKSGLKLVENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-8-2-7-11(15-12(8)14)16-13(18)21-10-5-3-9(4-6-10)17(19)20/h2-7H,1H3,(H,15,16,18).
What are the key properties of (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate?
(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate has a molecular weight of 307.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 140879711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).